trimethylsilyl 2-oxopropanoate

C6H12O3Si — CID 554459

IUPACtrimethylsilyl 2-oxopropanoate
SMILESCC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C6H12O3Si/c1-5(7)6(8)9-10(2,3)4/h1-4H3
InChIKeyKILXEJUPHXXGCP-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.95
Rot. Bonds2

About trimethylsilyl 2-oxopropanoate

trimethylsilyl 2-oxopropanoate (PubChem CID 554459) has the molecular formula C6H12O3Si and a molecular weight of 160.24 g/mol. Its IUPAC name is trimethylsilyl 2-oxopropanoate.

Molecular Properties

Compound Nametrimethylsilyl 2-oxopropanoate
PubChem CID554459
Molecular FormulaC6H12O3Si
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Nametrimethylsilyl 2-oxopropanoate
SMILESCC(=O)C(=O)O[Si](C)(C)C
InChIInChI=1S/C6H12O3Si/c1-5(7)6(8)9-10(2,3)4/h1-4H3
InChIKeyKILXEJUPHXXGCP-UHFFFAOYSA-N
XLogP0.95
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-oxopropanoate?
The IUPAC name of trimethylsilyl 2-oxopropanoate (CID 554459) is trimethylsilyl 2-oxopropanoate.
What is the SMILES notation for trimethylsilyl 2-oxopropanoate?
The canonical SMILES for trimethylsilyl 2-oxopropanoate is CC(=O)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-oxopropanoate?
The InChIKey is KILXEJUPHXXGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3Si/c1-5(7)6(8)9-10(2,3)4/h1-4H3.
What are the key properties of trimethylsilyl 2-oxopropanoate?
trimethylsilyl 2-oxopropanoate has a molecular weight of 160.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-oxopropanoate is sourced from PubChem (CID 554459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).